6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene

C20H14S2 — CID 155358638

IUPAC6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
SMILESCc1ccc2sc3cc4sc5ccc(C)cc5c4cc3c2c1
InChIInChI=1S/C20H14S2/c1-11-3-5-17-13(7-11)15-9-16-14-8-12(2)4-6-18(14)22-20(16)10-19(15)21-17/h3-10H,1-2H3
InChIKeyGVALYMBLBMLBPY-UHFFFAOYSA-N
MW318.47 g/mol
LogP7.04
Rot. Bonds

About 6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene

6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene (PubChem CID 155358638) has the molecular formula C20H14S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
PubChem CID155358638
Molecular FormulaC20H14S2
Molecular Weight318.47 g/mol
Exact Mass318.05
IUPAC Name6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
SMILESCc1ccc2sc3cc4sc5ccc(C)cc5c4cc3c2c1
InChIInChI=1S/C20H14S2/c1-11-3-5-17-13(7-11)15-9-16-14-8-12(2)4-6-18(14)22-20(16)10-19(15)21-17/h3-10H,1-2H3
InChIKeyGVALYMBLBMLBPY-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.47
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-8-propyldibenzothiophene
CID 144955696
7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 156529970
trimethyl-[2-(16-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)ethynyl]-λ4-sulfane
CID 145017988
3-(2,6-dimethyl-4-oxothiochromen-3-yl)-2,6-dimethylthiochromen-4-one
CID 10385011
5,10,17-trimethyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,15(20),16,18-decaene
CID 134909158
7-N-(7-methyldibenzothiophen-2-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 139422457
7-methyl-9-oxothioxanthene-3-carbonitrile
CID 10658399
2,8-dimethyl-3-(6-methyldibenzothiophen-2-yl)dibenzothiophene
CID 138605341
2,5-dimethyl-1-benzothiophene-3-carbonitrile
CID 84739601
3,8-dimethyldibenzothiophene-1-carbaldehyde
CID 135053414
7-methyl-9-oxothioxanthene-3-carboxylic acid chloride
CID 86587294
2-methyl-8-[2-(6-methyldibenzothiophen-2-yl)ethyl]dibenzothiophene
CID 138662442

Frequently Asked Questions

What is the IUPAC name of 6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?
The IUPAC name of 6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene (CID 155358638) is 6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene.
What is the SMILES notation for 6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?
The canonical SMILES for 6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene is Cc1ccc2sc3cc4sc5ccc(C)cc5c4cc3c2c1.
What is the InChIKey of 6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?
The InChIKey is GVALYMBLBMLBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14S2/c1-11-3-5-17-13(7-11)15-9-16-14-8-12(2)4-6-18(14)22-20(16)10-19(15)21-17/h3-10H,1-2H3.
What are the key properties of 6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene?
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene has a molecular weight of 318.47 g/mol, XLogP of 7.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene is sourced from PubChem (CID 155358638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).